[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone

C19H20F2N6O — CID 142340945

About [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone

[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone (PubChem CID 142340945) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone
• PubChem CID: 142340945
• Molecular Formula: C19H20F2N6O
• Molecular Weight: 386.41 g/mol
• Exact Mass: 386.17
• IUPAC Name: [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone
• SMILES: Cc1cc(C(=O)N2CCC[C@H](c3cc(C(F)F)nc4ncnn34)C2)cnc1C
• InChI: InChI=1S/C19H20F2N6O/c1-11-6-14(8-22-12(11)2)18(28)26-5-3-4-13(9-26)16-7-15(17(20)21)25-19-23-10-24-27(16)19/h6-8,10,13,17H,3-5,9H2,1-2H3/t13-/m0/s1
• InChIKey: MMYQPJQTSFXFHA-ZDUSSCGKSA-N
• XLogP: 3.09
• TPSA: 76.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.41
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone?

The IUPAC name of [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone (CID 142340945) is [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone.

What is the SMILES notation for [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone?

The canonical SMILES for [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone is Cc1cc(C(=O)N2CCC[C@H](c3cc(C(F)F)nc4ncnn34)C2)cnc1C.

What is the InChIKey of [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone?

The InChIKey is MMYQPJQTSFXFHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-11-6-14(8-22-12(11)2)18(28)26-5-3-4-13(9-26)16-7-15(17(20)21)25-19-23-10-24-27(16)19/h6-8,10,13,17H,3-5,9H2,1-2H3/t13-/m0/s1.

What are the key properties of [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone?

[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone has a molecular weight of 386.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 142340945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).